N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide Openeye Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxybenzamide IUPAC Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxybenzamide Traditional Name: N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C25H20N2O3S/c1-3-15-27-22-14-13-20(29-4-2)17-23(22)31-25(27)26-24(28)18-9-8-12-21(16-18)30-19-10-6-5-7-11-19/h1,5-14,16-17H,4,15H2,2H3